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Phthalic acid, 4-chloro-3-methylphenyl heptyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 4-chloro-3-methylphenyl heptyl ester
SpectraBase Compound ID 8yuojlUApj6
InChI InChI=1S/C22H25ClO4/c1-3-4-5-6-9-14-26-21(24)18-10-7-8-11-19(18)22(25)27-17-12-13-20(23)16(2)15-17/h7-8,10-13,15H,3-6,9,14H2,1-2H3
InChIKey ZOYDHLFYDMBHEJ-UHFFFAOYSA-N
Mol Weight 388.89 g/mol
Molecular Formula C22H25ClO4
Exact Mass 388.144137 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3zxhO9l6ywR
Name Phthalic acid, 4-chloro-3-methylphenyl heptyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.144136981 u
Formula C22H25ClO4
InChI InChI=1S/C22H25ClO4/c1-3-4-5-6-9-14-26-21(24)18-10-7-8-11-19(18)22(25)27-17-12-13-20(23)16(2)15-17/h7-8,10-13,15H,3-6,9,14H2,1-2H3
InChIKey ZOYDHLFYDMBHEJ-UHFFFAOYSA-N
Molecular Weight 388.891 g/mol
SMILES C1(=CC=C(C(=C1)C)Cl)OC(C1=C(C(OCCCCCCC)=O)C=CC=C1)=O